ethyl 2-methyl-5-[3-methylbutanoyl(methylsulfonyl)amino]-1-methylsulfonyl-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[3-methylbutanoyl(methylsulfonyl)amino]-1-methylsulfonyl-indole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[3-methylbutanoyl(methylsulfonyl)amino]-1-methylsulfonyl-indole-3-carboxylate CAS Name: 2-methyl-5-[(3-methyl-1-oxobutyl)-methylsulfonylamino]-1-methylsulfonyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[3-methylbutanoyl(methylsulfonyl)amino]-1-methylsulfonylindole-3-carboxylate Traditional Name: 5-[isovaleryl(mesyl)amino]-1-mesyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C19H26N2O7S2 MolecularWeight: 458.54894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)N(C(=O)CC(C)C)S(=O)(=O)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)N(C(=O)CC(C)C)S(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C19H26N2O7S2/c1-7-28-19(23)18-13(4)20(29(5,24)25)16-9-8-14(11-15(16)18)21(30(6,26)27)17(22)10-12(2)3/h8-9,11-12H,7,10H2,1-6H3